vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 06 
  03:03:51 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000       5.41863000 
    
       1051.63255568 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.18454849 
    
   
   
           0.66098337       0.15915233       0.71215898 
           0.95382998       0.00853503       0.78736444 
           0.65015978       0.47090828       0.07035719 
           0.83833054       0.41951802       0.81926729 
           0.55947492       0.37750148       0.52003232 
           0.25035800       0.87893587       0.45723288 
           0.92939078       0.84805807       0.35464673 
           0.62530751       0.13330853       0.26357359 
           0.29393174       0.85523292       0.48457360 
           0.27035273       0.21278143       0.89563754 
           0.70296343       0.04209064       0.68831528 
           0.50525136       0.30686192       0.00908875 
           0.78484430       0.03467113       0.96735592 
           0.83420139       0.14577560       0.82531211 
           0.22463000       0.13425276       0.65586962 
           0.32042879       0.13697821       0.93466814 
           0.21861592       0.77779268       0.31174014 
           0.46702441       0.52583793       0.65507626 
           0.26556662       0.40745045       0.76692789 
           0.43104467       0.72080950       0.02897280 
           0.94820849       0.34642494       0.05680125 
           0.74974058       0.96646048       0.88781690 
           0.15180320       0.47898621       0.57778854 
           0.04025815       0.11537296       0.00629230 
           0.03457183       0.49635375       0.34704529 
           0.15298685       0.07485209       0.86308334 
           0.78804303       0.73617314       0.73090694 
           0.18474867       0.49310988       0.54537352 
           0.45211698       0.20743400       0.49739409 
           0.58130490       0.18614987       0.87853648 
           0.77314631       0.84679285       0.99093338 
           0.17308832       0.02320509       0.85606839 
           0.23249894       0.25688651       0.83500111 
           0.64513349       0.02775525       0.59104561 
           0.10919221       0.09743834       0.14217558 
           0.29470697       0.98737345       0.20663338 
           0.71047234       0.93962114       0.30534933 
           0.94928694       0.97133546       0.96071772 
           0.37015808       0.10932994       0.76148918 
           0.65063051       0.54310947       0.53598381 
           0.00817524       0.24404897       0.58857979 
           0.06029189       0.33580472       0.36208653 
           0.81754245       0.11193529       0.71780980 
           0.54359122       0.04840346       0.22586451 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
  
 
 
  
          2        1        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.00000000       0.33333333 
  
  
          0.16666667 
          0.16666667 
          0.33333333 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      108
       -1
       -1
       168.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       40
      126
       28
       80
      252
       56
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.77000000      0.32000000      0.72000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000     18.99800000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        14.34044394
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
      200
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        44 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      25Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       9H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000       5.41863000 
   
      1051.63255568 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.18454849 
   
  
  
          0.66098337       0.15915233       0.71215898 
          0.95382998       0.00853503       0.78736444 
          0.65015978       0.47090828       0.07035719 
          0.83833054       0.41951802       0.81926729 
          0.55947492       0.37750148       0.52003232 
          0.25035800       0.87893587       0.45723288 
          0.92939078       0.84805807       0.35464673 
          0.62530751       0.13330853       0.26357359 
          0.29393174       0.85523292       0.48457360 
          0.27035273       0.21278143       0.89563754 
          0.70296343       0.04209064       0.68831528 
          0.50525136       0.30686192       0.00908875 
          0.78484430       0.03467113       0.96735592 
          0.83420139       0.14577560       0.82531211 
          0.22463000       0.13425276       0.65586962 
          0.32042879       0.13697821       0.93466814 
          0.21861592       0.77779268       0.31174014 
          0.46702441       0.52583793       0.65507626 
          0.26556662       0.40745045       0.76692789 
          0.43104467       0.72080950       0.02897280 
          0.94820849       0.34642494       0.05680125 
          0.74974058       0.96646048       0.88781690 
          0.15180320       0.47898621       0.57778854 
          0.04025815       0.11537296       0.00629230 
          0.03457183       0.49635375       0.34704529 
          0.15298685       0.07485209       0.86308334 
          0.78804303       0.73617314       0.73090694 
          0.18474867       0.49310988       0.54537352 
          0.45211698       0.20743400       0.49739409 
          0.58130490       0.18614987       0.87853648 
          0.77314631       0.84679285       0.99093338 
          0.17308832       0.02320509       0.85606839 
          0.23249894       0.25688651       0.83500111 
          0.64513349       0.02775525       0.59104561 
          0.10919221       0.09743834       0.14217558 
          0.29470697       0.98737345       0.20663338 
          0.71047234       0.93962114       0.30534933 
          0.94928694       0.97133546       0.96071772 
          0.37015808       0.10932994       0.76148918 
          0.65063051       0.54310947       0.53598381 
          0.00817524       0.24404897       0.58857979 
          0.06029189       0.33580472       0.36208653 
          0.81754245       0.11193529       0.71780980 
          0.54359122       0.04840346       0.22586451 
  
 
 
  
       5.37    5.49
       5.82    5.93
   
         74.00007382 
       5335.87632879 
     -10974.52512912 
         50.85750674 
       5642.42690935 
      -5222.73511433 
          0.00973238 
       -326.31316260 
       6953.63384995 
       1533.23099498 
       1533.22126260 
       1533.22775086 
   
  
  
       8.27    8.28
       8.27    8.28
   
        455.69474784 
        455.68651513 
        455.69200361 
   
  
  
       8.46    8.47
       8.46    8.47
   
        278.74367473 
        278.73070859 
        278.73935268 
   
  
  
       9.23    9.24
       9.23    9.24
   
        267.78751848 
        267.76344672 
        267.77949456 
   
  
  
       8.40    8.41
       8.46    8.47
   
        267.52827547 
        267.50588964 
        267.52081353 
   
  
  
       9.17    9.18
       9.50    9.51
   
        253.86529670 
        253.88393423 
        253.87150921 
   
  
  
      10.67   10.68
      10.94   10.95
   
      -1983.01179367 
      -1983.01319300 
      -1983.01226011 
   
  
  
       9.97    9.98
      10.25   10.26
   
        312.24785512 
        312.25698286 
        312.25089770 
   
  
  
       9.74    9.76
      10.01   10.02
   
         88.55379624 
         88.56341732 
         88.55700326 
   
  
  
       8.90    8.91
       9.18    9.19
   
        330.47125143 
        330.55115907 
        330.49788731 
   
  
  
       8.42    8.43
       8.69    8.70
   
        309.96129960 
        309.96261855 
        309.96173925 
   
  
  
       7.90    7.91
       8.18    8.19
   
        305.67240438 
        305.70682850 
        305.68387909 
   
  
  
       7.95    7.97
       8.29    8.31
   
        284.92361791 
        284.88857890 
        284.91193824 
   
  
  
       7.37    7.39
       7.70    7.72
   
        284.53707737 
        284.50015430 
        284.52476968 
   
  
  
       8.32    8.33
       8.61    8.62
   
        286.98245765 
        286.98164295 
        286.98218609 
   
  
  
       7.78    7.81
       8.09    8.12
   
        282.08558391 
        282.06649393 
        282.07922058 
   
  
  
       7.76    7.78
       8.04    8.06
   
        280.45644761 
        280.50351405 
        280.47213643 
   
  
  
       7.96    7.98
       8.23    8.26
   
        261.11271333 
        261.14708752 
        261.12417139 
   
  
  
       7.77    7.79
       8.07    8.09
   
        159.09780066 
        159.07602485 
        159.09054205 
   
  
  
       7.67    7.69
       7.94    7.96
   
         99.44547691 
         99.43376214 
         99.44157199 
   
  
  
       7.46    7.49
       7.76    7.79
   
        127.77848992 
        127.74653292 
        127.76783759 
   
  
  
      11.04   11.06
      11.32   11.34
   
     -20797.06872659 
     -20797.06558592 
     -20797.06767970 
   
  
  
       6.80    6.82
       7.07    7.11
   
        111.16136635 
        111.12631451 
        111.14968241 
   
  
  
       7.01    7.04
       7.28    7.31
   
        304.84229382 
        304.86007782 
        304.84822182 
   
  
  
       7.58    7.60
       7.88    7.90
   
         -1.44368062 
         -1.40089868 
         -1.42941997 
   
  
  
       8.17    8.18
       8.44    8.46
   
       -169.70812575 
       -169.70188492 
       -169.70604548 
   
  
  
      10.55   10.56
      10.82   10.84
   
      -4498.78839025 
      -4498.74864694 
      -4498.77514248 
   
  
  
       5.77    5.78
       6.05    6.07
   
      20924.76261513 
      20924.76071205 
      20924.76198077 
   
  
  
       7.83    7.85
       8.12    8.14
   
       -106.15832998 
       -106.15035689 
       -106.15567229 
   
  
  
       7.45    7.47
       7.73    7.74
   
       -167.31593496 
       -167.34184087 
       -167.32457026 
   
  
  
       6.36    6.37
       6.64    6.65
   
       -505.14947244 
       -505.12626868 
       -505.14173786 
   
  
  
       5.59    5.60
       5.86    5.88
   
    **************** 
    **************** 
    **************** 
   
  
  
       6.88    6.91
       7.16    7.19
   
        654.85807212 
        654.87427828 
        654.86347417 
   
  
  
       8.35    8.38
       8.62    8.66
   
    -643793.74369602 
    -643793.72504387 
    -643793.73747864 
   
  
  
       6.98    6.99
       7.26    7.28
   
    -258679.66687982 
    -258679.64309166 
    -258679.65895043 
   
  
  
       7.29    7.31
       7.59    7.62
   
      -2478.40679440 
      -2478.38071277 
      -2478.39810052 
   
  
  
       8.07    8.08
       8.34    8.35
   
    **************** 
    **************** 
    **************** 
   
  
  
       6.14    6.16
       6.43    6.45
   
     -37483.86411358 
     -37483.85095799 
     -37483.85972838 
   
  
  
       4.56    4.58
       4.87    4.90
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.80    4.82
       5.12    5.16
   
      -6166.16832181 
      -6166.15761615 
      -6166.16475325 
   
  
  
       4.14    4.15
       4.43    4.44
   
     -12776.25652842 
     -12776.24995378 
     -12776.25433687 
   
  
  
       5.10    5.12
       5.36    5.39
   
     -17648.25597692 
     -17648.25190388 
     -17648.25461924 
   
  
  
       4.31    4.32
       4.58    4.60
   
      -4262.26326131 
      -4262.25045442 
      -4262.25899235 
   
  
  
       4.63    4.66
       4.92    4.95
   
       -664.65374082 
       -664.66939981 
       -664.65896049 
   
  
  
       4.96    4.99
       5.25    5.29
   
      -3883.30039383 
      -3883.29557981 
      -3883.29878915 
   
  
  
       4.25    4.27
       4.57    4.59
   
     -13423.27947852 
     -13423.25663800 
     -13423.27186501 
   
  
  
       3.72    3.77
       4.07    4.13
   
      -8858.76564846 
      -8858.77500352 
      -8858.76876681 
   
  
  
       3.37    3.40
       3.67    3.70
   
     -20923.85003885 
     -20923.85263473 
     -20923.85090414 
   
  
  
       3.69    3.71
       4.01    4.03
   
    -105241.95961193 
    -105241.95551984 
    -105241.95824790 
   
  
  
       3.60    3.62
       3.94    3.96
   
    -113516.90597504 
    -113516.90008631 
    -113516.90401213 
   
  
  
       3.51    3.53
       3.78    3.80
   
     -25597.66378673 
     -25597.64456170 
     -25597.65737839 
   
  
  
       2.71    2.74
       2.99    3.03
   
     -65234.46309978 
     -65234.43878022 
     -65234.45499326 
   
  
  
       4.24    4.26
       4.51    4.53
   
     -78727.08624838 
     -78727.07540004 
     -78727.08263227 
   
  
  
       3.37    3.38
       3.63    3.65
   
     -26954.64971021 
     -26954.64229485 
     -26954.64723842 
   
  
  
       3.53    3.55
       3.82    3.85
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.58    3.59
       3.84    3.85
   
      -8976.15521804 
      -8976.12482004 
      -8976.14508537 
   
  
  
       3.54    3.56
       3.81    3.83
   
     -16858.58571054 
     -16858.57565411 
     -16858.58235839 
   
  
  
       3.96    3.97
       4.22    4.25
   
    -138152.96576331 
    -138152.94625050 
    -138152.95925904 
   
  
  
       3.90    3.91
       4.16    4.17
   
    -220317.47863018 
    -220317.44895311 
    -220317.46873783 
   
  
  
       2.69    2.70
       2.96    2.97
   
    -524283.88197084 
    -524283.88142072 
    -524283.88178746 
   
  
  
       2.85    2.87
       3.14    3.16
   
    -277594.81409868 
    -277594.82152569 
    -277594.81657435 
   
  
  
       3.22    3.23
       3.51    3.52
   
    -579620.96420739 
    -579620.94836395 
    -579620.95892624 
   
  
  
       2.74    2.75
       3.00    3.01
   
    -259302.48891190 
    -259302.48431731 
    -259302.48738037 
   
  
  
       2.59    2.61
       2.86    2.88
   
    -679777.71391301 
    -679777.71837767 
    -679777.71540123 
   
  
  
       3.16    3.18
       3.41    3.44
   
    -593348.60336694 
    -593348.58593221 
    -593348.59755536 
   
  
  
       2.69    2.70
       2.96    2.98
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.48    2.50
       2.74    2.75
   
    -685802.69521211 
    -685802.70199091 
    -685802.69747171 
   
  
  
       3.01    3.03
       3.29    3.31
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.04    2.05
       2.28    2.30
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.82    1.84
       2.08    2.10
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.80    1.83
       2.07    2.09
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.65    1.66
       1.89    1.91
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.81    1.82
       2.05    2.06
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.74    1.76
       1.98    2.00
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.59    1.61
       1.83    1.86
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.73    1.74
       1.96    1.98
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.80    1.82
       2.04    2.06
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.75    1.76
       1.99    2.00
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.75    1.77
       1.99    2.00
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.79    1.81
       2.04    2.05
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.66    1.68
       1.90    1.92
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.84    1.86
       2.08    2.10
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.65    1.66
       1.89    1.90
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.91    1.94
       2.15    2.19
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.58    1.59
       1.83    1.84
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.73    1.74
       1.97    1.98
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.70    1.72
       1.94    1.96
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.90    0.92
       1.13    1.15
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.88    0.90
       1.11    1.13
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.90    0.92
       1.13    1.16
   
    **************** 
    **************** 
    ****************